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Imazalil

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Identification
Molecular formula
C14H14ClN3
CAS number
35554-44-0
IUPAC name
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
State
State

Imazalil is typically a solid at room temperature.

Melting point (Celsius)
86.00
Melting point (Kelvin)
359.00
Boiling point (Celsius)
389.00
Boiling point (Kelvin)
662.00
General information
Molecular weight
297.77g/mol
Molar mass
297.7740g/mol
Density
1.2500g/cm3
Appearence

Imazalil appears as a colorless or white crystalline solid.

Comment on solubility

Solubility of 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

The solubility characteristics of 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile, with the chemical formula C14H14ClN3, can be understood through a few crucial factors influencing its behavior in various solvents:

  • Polarity: This compound exhibits a mix of polar and non-polar features due to the presence of both a chlorophenyl group and a triazole moiety. This dual nature can affect its solubility in polar vs. non-polar solvents.
  • Hydrophobicity: The hexanenitrile chain contributes to its hydrophobic characteristics, generally making the compound less soluble in water but potentially more soluble in organic solvents such as ethanol or chloroform.
  • Interactions: The presence of the chlorine atom and nitrogen in the structure may allow for the formation of hydrogen bonds in suitable environments, influencing solubility in polar solvents.

Overall, while the solubility of this compound is likely limited in aqueous environments, it may find greater compatibility in organic solvents, thus facilitating its potential applications. As stated, “solubility is a vital feature of compounds that governs their activity and applicability in various fields.”


Further empirical studies would be essential to ascertain precise solubility values in specific solvents and under varied conditions, as theoretical predictions alone may not provide a complete picture.

Interesting facts

Interesting Facts about 2-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

This fascinating compound is notable for its unique structure and potential applications in various fields. Here are some key points to consider:

  • Pharmaceutical Potential: The presence of a triazole ring in its structure suggests that this compound could possess interesting pharmacological properties. Triazoles are known for their antifungal and antimicrobial activities, making this compound a candidate for further research in medicinal chemistry.
  • Chlorine's Role: The inclusion of a chlorine atom in the compound, specifically on the phenyl ring, often enhances the biological activity of organic molecules. This halogen can improve solubility and metabolic stability in biological systems.
  • Structure-Activity Relationship: Studying the relationship between this compound's structure and its biological activities could yield valuable insights. Chemists often modify different components to assess how they influence efficacy, making this compound a useful template for synthetic variations.
  • Research Applications: Besides its pharmaceutical implications, this compound could find applications in agricultural chemistry, particularly in developing novel pesticides or herbicides based on its triazole structure.
  • Multifunctionality: In the realm of materials science, this type of compound can be explored for its potential as a stabilizing agent in various formulations, highlighting its versatility in multiple chemical contexts.

Overall, 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile serves as a great example of how complex organic molecules can lead to innovative solutions across chemistry, medicine, and beyond. As scientists continue to explore and characterize its properties, we may unlock new applications that can positively impact our world.

Synonyms
MYCLOBUTANIL
88671-89-0
Systhane
2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile
Rally
Nova
Synthane 12E
Nu-Flow M
Caswell No. 723K
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Myclobutanil [ANSI:BSI:ISO]
HSDB 6708
UNII-B6T1JTM6KZ
HOE 39304F
EPA Pesticide Chemical Code 128857
DTXSID8024315
CHEBI:83729
2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
MFCD00144818
MYCLOBUTANIL [MI]
B6T1JTM6KZ
MYCLOBUTANIL [ISO]
DTXCID304315
(+/-)-MYCLOBUTANIL [HSDB]
RH-3866
Myclobutanil 10 microg/mL in Cyclohexane
1H-1,2,4-Triazole-1-propanenitrile, alpha-butyl-alpha-(4-chlorophenyl)-
Nova (pesticide)
Systhane 6 Flo
Nova W
Myclobutanil (ANSI:BSI:ISO)
(+-)-Myclobutanil
CAS-88671-89-0
RH 3866
C15H17ClN4
rac-myclobutanil
NuFlow M
alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
systhane/myclobutanil
Myclobutanil (Standard)
2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
SCHEMBL21809
(+/-)-MYCLOBUTANIL
CHEMBL1904430
CHEBI:75281
HY-B2148R
DTXSID701033655
DTXSID901033649
HMS2090D09
244094-39-1
244094-40-4
BCP21409
HY-B2148
MSK21225
Tox21_201915
Tox21_301135
(R)-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
DL-452
s5704
.alpha.-Butyl-.alpha.-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
1H-1,2,4-Triazole-1-propanenitrile, .alpha.-butyl-.alpha.-(4-chlorophenyl)-
AKOS015895793
CCG-267365
CS-8015
DS-3477
USEPA/OPP Pesticide Code: 128857
NCGC00163776-01
NCGC00163776-02
NCGC00163776-03
NCGC00163776-04
NCGC00163776-05
NCGC00163776-06
NCGC00163776-07
NCGC00255034-01
NCGC00259464-01
AC-12516
DB-057096
NS00000451
C18477
C76963
AB01275509-01
Myclobutanil, PESTANAL(R), analytical standard
A842831
Q413587
SR-05000001515
SR-05000001515-1
2pChlorophenyl2(1H1,2,4triazol1ylmethyl)hexanenitrile
2(4Chlorophenyl)2(1H1,2,4triazol1ylmethyl)hexanenitrile
ALPHA-BUTYL-ALPHA-(4-CHLOROPHENYL)-1H-1,2,4-TRIAZO
alphaButylalpha(4chlorophenyl)1H1,2,4triazole1propanenitrile
.ALPHA.-BUTYL-.ALPHA.-(4-CHLOROPHENYL)-1H-1,2,4-TRIAZO
a-butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
rac-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
(+-)-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
2-(4-CHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1- YLMETHYL)HEXANENITRILE
2-P-CHLOROPHENYL-2-(1H-1,2,4-TRIAZOL-1- YLMETHYL)HEXANENITRILE
alpha-n-butyl-alpha(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
alpha-n-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
rac-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
rac-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
(+-)-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
.ALPHA.-BUTYL-.ALPHA.-(4-CHLOROPHENYL)-1H-1,2,4-TRIAZOLE-1- PROPANENITRILE
1H-1,2,4-TRIAZOLE-1-PROPANENITRILE, .ALPHA.-BUTYL-.ALPHA.-(4- CHLOROPHENYL)-
618-198-8